SCHEMBL9078097

SCHEMBL9078097

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(/C=C/OC)c2Cl)c1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
ATM Q13315 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9078101 1.00 SMN1; SMN2 (0.34) SMN1; SMN2RAB9AMEN1LMNAHTT
SCHEMBL7962639 0.84 SMN1; SMN2 (0.39) SMN1; SMN2RAB9AMEN1LMNAHTT
SCHEMBL9448454 0.82 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AMEN1LMNAHTT
SCHEMBL9076318 0.82 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AMEN1LMNAHTT
SCHEMBL9076440 0.82 SMN1; SMN2 (0.35) SMN1; SMN2RAB9ALMNAHTT
SCHEMBL8375883 0.81 SMN1; SMN2 (0.37) SMN1; SMN2RAB9AMEN1LMNAHTT
SCHEMBL6609417 0.81 SMN1; SMN2 (0.34) SMN1; SMN2RAB9ALMNAHTT
SCHEMBL9078025 0.80 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AMEN1LMNAHTT
SCHEMBL9078372 0.80 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AMEN1LMNAHTT
SCHEMBL1738355 0.80 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AMEN1LMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282944-B1 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL IND LTD (JP) 1996-09-11 EP claimed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP claimed